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4 similar compounds to monomer 50216166

Compile data set for download or QSAR
Wt: 381.3
BDBM50216158
Wt: 291.2
BDBM50216159
Wt: 374.5
BDBM50216167
Wt: 506.6
BDBM50216160

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50216158,50216159,50216167,50216160   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50216160
PNG
(CHEMBL130806)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C33H34N2O3/c1-37-30-14-13-27(21-31(30)38-28-10-3-4-11-28)33(22-24-15-18-34-19-16-24)17-20-35(32(33)36)23-26-9-6-8-25-7-2-5-12-29(25)26/h2,5-9,12-16,18-19,21,28H,3-4,10-11,17,20,22-23H2,1H3
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822n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Affinity for phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement.


Bioorg Med Chem Lett 8: 399-404 (1998)


Article DOI: 10.1016/s0960-894x(98)00036-5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216158
PNG
(5-benzyloxy-pyrrolo[3',4':5,6]indolizino[8,7-b]ind...)
Show SMILES O=C1NC(=O)c2c1c1c3cc(OCc4ccccc4)ccc3[nH]c1c1cccn21
Show InChI InChI=1S/C23H15N3O3/c27-22-19-18-15-11-14(29-12-13-5-2-1-3-6-13)8-9-16(15)24-20(18)17-7-4-10-26(17)21(19)23(28)25-22/h1-11,24H,12H2,(H,25,27,28)
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n/an/a 640n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 15: 5965-80 (2007)


Article DOI: 10.1016/j.bmc.2007.05.073
BindingDB Entry DOI: 10.7270/Q2KW5FR0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50216159
PNG
(5-hydroxy-pyrrolo[3',4':5,6]indolizino[8,7-b]indol...)
Show SMILES Oc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C16H9N3O3/c20-7-3-4-9-8(6-7)11-12-14(16(22)18-15(12)21)19-5-1-2-10(19)13(11)17-9/h1-6,17,20H,(H,18,21,22)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50216159
PNG
(5-hydroxy-pyrrolo[3',4':5,6]indolizino[8,7-b]indol...)
Show SMILES Oc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C16H9N3O3/c20-7-3-4-9-8(6-7)11-12-14(16(22)18-15(12)21)19-5-1-2-10(19)13(11)17-9/h1-6,17,20H,(H,18,21,22)
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n/an/a 200n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of GST-fused rat recombinant DYRK1A expressed in Escherichia coli using Woodtide as substrate and [gamma-33P] after 30 mins by scintillati...


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50216160
PNG
(CHEMBL130806)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C33H34N2O3/c1-37-30-14-13-27(21-31(30)38-28-10-3-4-11-28)33(22-24-15-18-34-19-16-24)17-20-35(32(33)36)23-26-9-6-8-25-7-2-5-12-29(25)26/h2,5-9,12-16,18-19,21,28H,3-4,10-11,17,20,22-23H2,1H3
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n/an/a 293n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of phosphodiesterase (PDE IV) from guinea pig macrophages.


Bioorg Med Chem Lett 8: 399-404 (1998)


Article DOI: 10.1016/s0960-894x(98)00036-5
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50216167
PNG
(CHEMBL134224)
Show SMILES CC(C)(C)NC(=O)[C@H]1CCC2C3CCC4NC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H38N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h14-18H,6-13H2,1-5H3,(H,24,26)(H,25,27)/t14?,15?,16?,17-,18?,22+,23-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against Steroid 5-alpha-reductase in rat


Bioorg Med Chem Lett 8: 409-14 (1999)


Article DOI: 10.1016/s0960-894x(98)00044-4
BindingDB Entry DOI: 10.7270/Q2JW8FDB
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50216159
PNG
(5-hydroxy-pyrrolo[3',4':5,6]indolizino[8,7-b]indol...)
Show SMILES Oc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C16H9N3O3/c20-7-3-4-9-8(6-7)11-12-14(16(22)18-15(12)21)19-5-1-2-10(19)13(11)17-9/h1-6,17,20H,(H,18,21,22)
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n/an/a 260n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216159
PNG
(5-hydroxy-pyrrolo[3',4':5,6]indolizino[8,7-b]indol...)
Show SMILES Oc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C16H9N3O3/c20-7-3-4-9-8(6-7)11-12-14(16(22)18-15(12)21)19-5-1-2-10(19)13(11)17-9/h1-6,17,20H,(H,18,21,22)
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n/an/a 16n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 15: 5965-80 (2007)


Article DOI: 10.1016/j.bmc.2007.05.073
BindingDB Entry DOI: 10.7270/Q2KW5FR0
More data for this
Ligand-Target Pair